acetic acid;ethene;hex-1-ene

C10H20O2 — CID 174309563

IUPACacetic acid;ethene;hex-1-ene
SMILESC=C.C=CCCCC.CC(=O)O
InChIInChI=1S/C6H12.C2H4O2.C2H4/c1-3-5-6-4-2;1-2(3)4;1-2/h3H,1,4-6H2,2H3;1H3,(H,3,4);1-2H2
InChIKeyMHYVRGRUIGFYLY-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.26
Rot. Bonds3

About acetic acid;ethene;hex-1-ene

acetic acid;ethene;hex-1-ene (PubChem CID 174309563) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is acetic acid;ethene;hex-1-ene.

Molecular Properties

Compound Nameacetic acid;ethene;hex-1-ene
PubChem CID174309563
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nameacetic acid;ethene;hex-1-ene
SMILESC=C.C=CCCCC.CC(=O)O
InChIInChI=1S/C6H12.C2H4O2.C2H4/c1-3-5-6-4-2;1-2(3)4;1-2/h3H,1,4-6H2,2H3;1H3,(H,3,4);1-2H2
InChIKeyMHYVRGRUIGFYLY-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;hex-1-ene
CID 88803963
acetic acid;oct-1-ene
CID 159976970
acetic acid;octadec-1-ene;zinc
CID 175392389
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
hept-1-ene;2-methylprop-2-enoic acid
CID 158713562
hex-1-ene;zinc
CID 174554611
hex-1-ene;2-methylbut-1-ene
CID 172686626
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656
benzene;buta-1,3-diene;hex-1-ene
CID 159461110
acetic acid;(5Z)-dodeca-1,5-diene
CID 174529937
but-1-ene;hexakis(hex-1-ene)
CID 161273113
hex-1-ene;zirconium(4+);dichloride
CID 157382882

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethene;hex-1-ene?
The IUPAC name of acetic acid;ethene;hex-1-ene (CID 174309563) is acetic acid;ethene;hex-1-ene.
What is the SMILES notation for acetic acid;ethene;hex-1-ene?
The canonical SMILES for acetic acid;ethene;hex-1-ene is C=C.C=CCCCC.CC(=O)O.
What is the InChIKey of acetic acid;ethene;hex-1-ene?
The InChIKey is MHYVRGRUIGFYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H4O2.C2H4/c1-3-5-6-4-2;1-2(3)4;1-2/h3H,1,4-6H2,2H3;1H3,(H,3,4);1-2H2.
What are the key properties of acetic acid;ethene;hex-1-ene?
acetic acid;ethene;hex-1-ene has a molecular weight of 172.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethene;hex-1-ene is sourced from PubChem (CID 174309563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).